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	hartrees
Energy at 0K	-191.263378
Energy at 298.15K	-191.269788
HF Energy	-190.866294
Nuclear repulsion energy	118.800477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3356	5.99
2	A'	3289	3140	8.46
3	A'	3192	3047	3.89
4	A'	3186	3042	11.88
5	A'	3097	2957	9.30
6	A'	1714	1637	67.65
7	A'	1597	1525	12.67
8	A'	1531	1462	13.33
9	A'	1493	1426	11.70
10	A'	1430	1365	2.13
11	A'	1211	1156	119.87
12	A'	1068	1019	23.55
13	A'	993	948	43.39
14	A'	835	797	7.87
15	A'	475	453	18.19
16	A'	407	389	3.41
17	A"	3163	3020	12.24
18	A"	1577	1505	6.65
19	A"	1147	1095	2.93
20	A"	852	813	90.99
21	A"	738	704	8.26
22	A"	506	483	13.32
23	A"	455	434	135.43
24	A"	155	148	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	-1.054	0.000
C2	0.000	0.106	0.000
C3	0.351	1.402	0.000
O4	-1.325	-0.373	0.000
H5	1.999	-0.688	0.000
H6	0.803	-1.675	0.886
H7	0.803	-1.675	-0.886
H8	1.394	1.690	0.000
H9	-0.381	2.204	0.000
H10	-1.948	0.401	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5122	2.5330	2.3932	1.0926	1.0945	1.0945	2.7766	3.5273	3.2600
C2	1.5122		1.3428	1.4086	2.1515	2.1451	2.1451	2.1100	2.1323	1.9699
C3	2.5330	1.3428		2.4413	2.6622	3.2337	3.2337	1.0820	1.0863	2.5078
O4	2.3932	1.4086	2.4413		3.3388	2.6468	2.6468	3.4129	2.7443	0.9934
H5	1.0926	2.1515	2.6622	3.3388		1.7858	1.7858	2.4542	3.7464	4.0946
H6	1.0945	2.1451	3.2337	2.6468	1.7858		1.7719	3.5292	4.1513	3.5578
H7	1.0945	2.1451	3.2337	2.6468	1.7858	1.7719		3.5292	4.1513	3.5578
H8	2.7766	2.1100	1.0820	3.4129	2.4542	3.5292	3.5292		1.8487	3.5821
H9	3.5273	2.1323	1.0863	2.7443	3.7464	4.1513	4.1513	1.8487		2.3888
H10	3.2600	1.9699	2.5078	0.9934	4.0946	3.5578	3.5578	3.5821	2.3888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.946	C1	C2	O4	109.996
C2	C1	H5	110.340	C2	C1	H6	109.715
C2	C1	H7	109.715	C2	C3	H8	120.585
C2	C3	H9	122.416	C2	O4	H10	108.961
C3	C2	O4	125.057	H5	C1	H6	109.474
H5	C1	H7	109.474	H6	C1	H7	108.085
H8	C3	H9	116.999

All results from a given calculation for C₃H₆O (Acetone enol)

using model chemistry: MP2=FULL/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H6O (Acetone enol)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₆O (Acetone enol)